N-hept-1-en-4-yl-N-phenylhydroxylamine

C13H19NO — CID 134935898

IUPACN-hept-1-en-4-yl-N-phenylhydroxylamine
SMILESC=CCC(CCC)N(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3,5-7,10-12,15H,1,4,8-9H2,2H3
InChIKeyOMVKHFYDMGQZGZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.63
Rot. Bonds6

About N-hept-1-en-4-yl-N-phenylhydroxylamine

N-hept-1-en-4-yl-N-phenylhydroxylamine (PubChem CID 134935898) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-hept-1-en-4-yl-N-phenylhydroxylamine.

Molecular Properties

Compound NameN-hept-1-en-4-yl-N-phenylhydroxylamine
PubChem CID134935898
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-hept-1-en-4-yl-N-phenylhydroxylamine
SMILESC=CCC(CCC)N(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3,5-7,10-12,15H,1,4,8-9H2,2H3
InChIKeyOMVKHFYDMGQZGZ-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine
CID 134925997
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
CID 67671911
oct-1-en-4-ylbenzene
CID 22247233
N-hexadecan-4-yl-N-phenylaniline
CID 174670846
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407
2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910

Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-4-yl-N-phenylhydroxylamine?
The IUPAC name of N-hept-1-en-4-yl-N-phenylhydroxylamine (CID 134935898) is N-hept-1-en-4-yl-N-phenylhydroxylamine.
What is the SMILES notation for N-hept-1-en-4-yl-N-phenylhydroxylamine?
The canonical SMILES for N-hept-1-en-4-yl-N-phenylhydroxylamine is C=CCC(CCC)N(O)c1ccccc1.
What is the InChIKey of N-hept-1-en-4-yl-N-phenylhydroxylamine?
The InChIKey is OMVKHFYDMGQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h3,5-7,10-12,15H,1,4,8-9H2,2H3.
What are the key properties of N-hept-1-en-4-yl-N-phenylhydroxylamine?
N-hept-1-en-4-yl-N-phenylhydroxylamine has a molecular weight of 205.30 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-4-yl-N-phenylhydroxylamine is sourced from PubChem (CID 134935898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).